(E)-N-(4-fluoranyl-3-nitro-phenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-fluoranyl-3-nitro-phenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(4-fluoro-3-nitro-phenyl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-(4-fluoro-3-nitrophenyl)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(4-fluoro-3-nitrophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(4-fluoro-3-nitro-phenyl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22FN3O6S/c1-31-19-9-5-15(13-20(19)32(29,30)24-11-3-2-4-12-24)6-10-21(26)23-16-7-8-17(22)18(14-16)25(27)28/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,26)/b10-6+